SCHEMBL582089

SCHEMBL582089

CCOC(=O)CC(=O)[C@@H]1CCN(C)[C@H](CC(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.33
CHRM1 P11229 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
EPHX2 P34913 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LTA4H P09960 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL580755 0.84 GAA (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3079270 0.84 GAA (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3088433 0.84 GAA (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL582211 0.83 POLB (0.40) ALDH1A1MEN1KMT2AMAPTCHRM1
SCHEMBL582112 0.80 ALDH1A1 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL581942 0.79 KMT2A (0.37) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL587241 0.75 GAA (0.34) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3069770 0.75 GAA (0.34) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL581442 0.75 GAA (0.34) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL26431309 0.74 KMT2A (0.40) GAAALDH1A1MEN1KMT2ATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed